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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/72/1537229.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1537229
loop_
_publ_author_name
'Lam, R.'
'Mar, A.'
_publ_section_title
;
 The metallic Zintl phase Ba3 Sn4 As6
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              503
_journal_page_last               512
_journal_volume                  3
_journal_year                    2001
_chemical_formula_sum            'As6 Ba3 Sn4'
_chemical_name_systematic        'Ba3 Sn4 As6'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.053
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.6374
_cell_length_b                   18.3536
_cell_length_c                   9.7209
_cell_volume                     1541.028
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Lam_SSSCFJ_2001_61.cif
_cod_data_source_block           As6Ba3Sn4
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1537229
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ba2 Ba 0.62591 0.28756 0.44216 0.865 0.0
Sn4 Sn 0.8841 0.36023 0.15112 1 0.0
Ba3 Ba 0.1216 0.54293 0.23888 1 0.0
Sn2 Sn 0.61 0.3746 0.4996 0.128 0.0
As2 As 0.6295 0.0985 0.50221 1 0.0
As5 As 0.3746 0.22145 0.20678 1 0.0
Sn1 Sn 0.12111 0.37444 0.50562 0.848 0.0
As6 As 0.8755 0.22202 0.20312 1 0.0
As1 As 0.1242 0.11086 0.50179 1 0.0
Ba4 Ba 0.6275 0.54611 0.24799 1 0.0
Sn3 Sn 0.3666 0.35998 0.15578 1 0.0
Sn6 Sn 0.6088 0.2372 0.3518 0.128 0.0
Sn5 Sn 0.1223 0.23721 0.36173 0.848 0.0
As4 As 0.8713 0.43207 0.37967 1 0.0
Ba1 Ba 0.1112 0.2893 0.4384 0.115 0.0
As3 As 0.3773 0.43476 0.38189 1 0.0
